[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)O[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H26N2O4/c1-14-15(2)26-16(3)19(14)21(25)27-17(4)20(24)23-12-10-22(11-13-23)18-8-6-5-7-9-18/h5-9,17H,10-13H2,1-4H3/t17-/m1/s1